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Organic acids and derivatives

Organic compounds with acidic properties, and will commonly have carboxylic acids or similar functional groups in their structure. Derived compounds are also included.
Carboxylic acids and derivatives (541)
Alpha-halocarboxylic acids and derivatives (64)
Organic sulfonic acids and derivatives (54)
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Organic phosphonic acids and derivatives (40)
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Orthocarboxylic acid derivatives (6)
Carboximidic acids and derivatives (3)
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Isopropyl Acetate, Puriss p.a., ≥99.5% (GC), Honeywell Riedel-de Haën™

CAS: 108-21-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00008877 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C

PubChem CID 7915
CAS 108-21-4
Molecular Weight (g/mol) 102.133
MDL Number MFCD00008877
SMILES CC(C)OC(=O)C
Synonym isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester
IUPAC Name propan-2-yl acetate
InChI Key JMMWKPVZQRWMSS-UHFFFAOYSA-N
Molecular Formula C5H10O2
2
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Butyl Acetate, puriss. p.a., ACS Reagent, ≥99.5% (GC), Honeywell Riedel-de Haën™

CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O

PubChem CID 31272
CAS 123-86-4
Molecular Weight (g/mol) 116.16
ChEBI CHEBI:31328
MDL Number MFCD00009445
SMILES CCCCOC(C)=O
Synonym n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle
IUPAC Name butyl acetate
InChI Key DKPFZGUDAPQIHT-UHFFFAOYSA-N
Molecular Formula C6H12O2
3

Ethylenediaminetetraacetic Acid, Honeywell Fluka™

CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O

PubChem CID 6049
CAS 60-00-4
Molecular Weight (g/mol) 292.24
ChEBI CHEBI:42191
MDL Number MFCD00003541
SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Synonym edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol
InChI Key KCXVZYZYPLLWCC-UHFFFAOYSA-N
Molecular Formula C10H16N2O8
4
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1,2-Diaminocyclohexanetetraacetic acid monohydrate, Honeywell Fluka™

CAS: 145819-99-4 Molecular Formula: C14H24N2O9 Molecular Weight (g/mol): 364.351 MDL Number: MFCD00150952 InChI Key: VASZYFIKPKYGNC-UHFFFAOYSA-N Synonym: cdta hydrate,glycine, n,n'-1,2-cyclohexanediylbis n-carboxymethyl-, monohydrate,trans-1,2-cyclohexanediamine-n,n,n',n'-tetraacetic acid monohydrate,acmc-20n4nc,1,2-diaminocyclohexanetetraacetic acid monohydrate,trans-1,2-cyclohexanediamine-n,n,n',n-tetraacetic acid,2,2',2,2'-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,2,2',2,2'-cyclohexane-1,2-diyldinitrilo tetraacetic acid-water 1/1,2-2-bis carboxymethyl amino cyclohexyl-carboxymethyl amino acetic acid hydrate,1,2-diaminocyclohexanetetraacetic acid monohydrate for complexometry, inverted exclamation marky PubChem CID: 18674933 IUPAC Name: 2-[[2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate SMILES: C1CCC(C(C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O

PubChem CID 18674933
CAS 145819-99-4
Molecular Weight (g/mol) 364.351
MDL Number MFCD00150952
SMILES C1CCC(C(C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O
Synonym cdta hydrate,glycine, n,n'-1,2-cyclohexanediylbis n-carboxymethyl-, monohydrate,trans-1,2-cyclohexanediamine-n,n,n',n'-tetraacetic acid monohydrate,acmc-20n4nc,1,2-diaminocyclohexanetetraacetic acid monohydrate,trans-1,2-cyclohexanediamine-n,n,n',n-tetraacetic acid,2,2',2,2'-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,2,2',2,2'-cyclohexane-1,2-diyldinitrilo tetraacetic acid-water 1/1,2-2-bis carboxymethyl amino cyclohexyl-carboxymethyl amino acetic acid hydrate,1,2-diaminocyclohexanetetraacetic acid monohydrate for complexometry, inverted exclamation marky
IUPAC Name 2-[[2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate
InChI Key VASZYFIKPKYGNC-UHFFFAOYSA-N
Molecular Formula C14H24N2O9
5

Dimethylformamide Anhydrous over molecular sieve, Honeywell™ Riedel de-Haen

CAS: 68-12-2 Molecular Formula: C3H7NO Molecular Weight (g/mol): 73.10 MDL Number: MFCD00003284 InChI Key: ZMXDDKWLCZADIW-UHFFFAOYSA-N Synonym: dimethylformamide,dimethyl formamide,n,n-dimethylmethanamide,n-formyldimethylamine,formamide, n,n-dimethyl,dmf,dimethylformamid,dimetilformamide,dwumetyloformamid,dmfa PubChem CID: 6228 ChEBI: CHEBI:17741 IUPAC Name: N,N-dimethylformamide SMILES: CN(C)C=O

PubChem CID 6228
CAS 68-12-2
Molecular Weight (g/mol) 73.10
ChEBI CHEBI:17741
MDL Number MFCD00003284
SMILES CN(C)C=O
Synonym dimethylformamide,dimethyl formamide,n,n-dimethylmethanamide,n-formyldimethylamine,formamide, n,n-dimethyl,dmf,dimethylformamid,dimetilformamide,dwumetyloformamid,dmfa
IUPAC Name N,N-dimethylformamide
InChI Key ZMXDDKWLCZADIW-UHFFFAOYSA-N
Molecular Formula C3H7NO
7

Butyl acetate, CHROMASOLV™ Plus, for HPLC, 99.7%, Honeywell Riedel-de Haën™

CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O

PubChem CID 31272
CAS 123-86-4
Molecular Weight (g/mol) 116.16
ChEBI CHEBI:31328
MDL Number MFCD00009445
SMILES CCCCOC(C)=O
Synonym n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle
IUPAC Name butyl acetate
InChI Key DKPFZGUDAPQIHT-UHFFFAOYSA-N
Molecular Formula C6H12O2
9

Ethylenediaminetetraacetic acid diammonium salt hydrate

CAS: 20824-56-0 Molecular Formula: C10H24N4O9 Molecular Weight (g/mol): 344.321 MDL Number: MFCD00150463 InChI Key: WRSUMHYBOYWMTD-UHFFFAOYSA-N Synonym: ethylenediaminetetraacetic acid diammonium salt hydrate,edetic acid diamine hydrate,diazanium,2-2-bis carboxymethyl amino ethyl-carboxylatome,ammonium 2,2-2-bis carboxymethyl amino ethyl azanediyl diacetate hydrate PubChem CID: 71311375 IUPAC Name: azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate SMILES: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.N.N.O

PubChem CID 71311375
CAS 20824-56-0
Molecular Weight (g/mol) 344.321
MDL Number MFCD00150463
SMILES C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.N.N.O
Synonym ethylenediaminetetraacetic acid diammonium salt hydrate,edetic acid diamine hydrate,diazanium,2-2-bis carboxymethyl amino ethyl-carboxylatome,ammonium 2,2-2-bis carboxymethyl amino ethyl azanediyl diacetate hydrate
IUPAC Name azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
InChI Key WRSUMHYBOYWMTD-UHFFFAOYSA-N
Molecular Formula C10H24N4O9
10

Propionic acid, 99%, pure

CAS: 79-09-4 InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonym: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin PubChem CID: 1032 ChEBI: CHEBI:30768 IUPAC Name: propanoic acid SMILES: CCC(=O)O

PubChem CID 1032
CAS 79-09-4
ChEBI CHEBI:30768
SMILES CCC(=O)O
Synonym propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin
IUPAC Name propanoic acid
InChI Key XBDQKXXYIPTUBI-UHFFFAOYSA-N
11

Triethyl citrate, 99%

CAS: 77-93-0 Molecular Formula: C12H20O7 Molecular Weight (g/mol): 276.29 InChI Key: DOOTYTYQINUNNV-UHFFFAOYSA-N Synonym: triethyl citrate,ethyl citrate,citroflex 2,eudraflex,hydragen cat,citric acid, triethyl ester,triaethylcitrat,triethylcitrate,citric acid triethyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, triethyl ester PubChem CID: 6506 IUPAC Name: triethyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O

EDGE
PubChem CID 6506
CAS 77-93-0
Molecular Weight (g/mol) 276.29
SMILES CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O
Synonym triethyl citrate,ethyl citrate,citroflex 2,eudraflex,hydragen cat,citric acid, triethyl ester,triaethylcitrat,triethylcitrate,citric acid triethyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, triethyl ester
IUPAC Name triethyl 2-hydroxypropane-1,2,3-tricarboxylate
InChI Key DOOTYTYQINUNNV-UHFFFAOYSA-N
Molecular Formula C12H20O7
12

Ethyl oleate, 98%, mixture of homologeous fatty acid esters

CAS: 111-62-6 Molecular Formula: C20H38O2 Molecular Weight (g/mol): 310.51 InChI Key: LVGKNOAMLMIIKO-QXMHVHEDSA-N Synonym: ethyl oleate,ethyl cis-9-octadecenoate,oleic acid, ethyl ester,oleic acid ethyl ester,9-octadecenoic acid z-, ethyl ester,ethyl oleate nf,ethyl z-octadec-9-enoate,ethyl oleate natural,fema no. 2450 PubChem CID: 5363269 ChEBI: CHEBI:84940 IUPAC Name: ethyl (Z)-octadec-9-enoate SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC

EDGE
PubChem CID 5363269
CAS 111-62-6
Molecular Weight (g/mol) 310.51
ChEBI CHEBI:84940
SMILES CCCCCCCCC=CCCCCCCCC(=O)OCC
Synonym ethyl oleate,ethyl cis-9-octadecenoate,oleic acid, ethyl ester,oleic acid ethyl ester,9-octadecenoic acid z-, ethyl ester,ethyl oleate nf,ethyl z-octadec-9-enoate,ethyl oleate natural,fema no. 2450
IUPAC Name ethyl (Z)-octadec-9-enoate
InChI Key LVGKNOAMLMIIKO-QXMHVHEDSA-N
Molecular Formula C20H38O2
13

1-Hexanesulfonic acid, sodium salt, 99+%, Ion pair chromatography, anhydrous

CAS: 2832-45-3 Molecular Formula: C6H13NaO3S Molecular Weight (g/mol): 188.22 MDL Number: MFCD00007542 InChI Key: QWSZRRAAFHGKCH-UHFFFAOYSA-M Synonym: sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt PubChem CID: 23677630 IUPAC Name: sodium;hexane-1-sulfonate SMILES: [Na+].CCCCCCS([O-])(=O)=O

EDGE
PubChem CID 23677630
CAS 2832-45-3
Molecular Weight (g/mol) 188.22
MDL Number MFCD00007542
SMILES [Na+].CCCCCCS([O-])(=O)=O
Synonym sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt
IUPAC Name sodium;hexane-1-sulfonate
InChI Key QWSZRRAAFHGKCH-UHFFFAOYSA-M
Molecular Formula C6H13NaO3S
14

Trimethyl phosphate, 99%

CAS: 512-56-1 Molecular Formula: C3H9O4P Molecular Weight (g/mol): 140.08 MDL Number: MFCD00008348 InChI Key: WVLBCYQITXONBZ-UHFFFAOYSA-N Synonym: trimethylphosphate,phosphoric acid, trimethyl ester,trimethyl orthophosphate,tmpo,trimethoxyphosphine oxide,phosphoric acid trimethyl ester,o,o,o-trimethyl phosphate,trimethylfosfat,phosphate, trimethyl,trimethylfosfat czech PubChem CID: 10541 ChEBI: CHEBI:46324 IUPAC Name: trimethyl phosphate SMILES: COP(=O)(OC)OC

EDGE
PubChem CID 10541
CAS 512-56-1
Molecular Weight (g/mol) 140.08
ChEBI CHEBI:46324
MDL Number MFCD00008348
SMILES COP(=O)(OC)OC
Synonym trimethylphosphate,phosphoric acid, trimethyl ester,trimethyl orthophosphate,tmpo,trimethoxyphosphine oxide,phosphoric acid trimethyl ester,o,o,o-trimethyl phosphate,trimethylfosfat,phosphate, trimethyl,trimethylfosfat czech
IUPAC Name trimethyl phosphate
InChI Key WVLBCYQITXONBZ-UHFFFAOYSA-N
Molecular Formula C3H9O4P
15

Methyl benzoate, 99%

CAS: 93-58-3 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 InChI Key: QPJVMBTYPHYUOC-UHFFFAOYSA-N Synonym: methylbenzoate,benzoic acid, methyl ester,clorius,benzoic acid methyl ester,niobe oil,oil of niobe,methyl benzenecarboxylate,essence of niobe,oniobe oil,oxidate le PubChem CID: 7150 ChEBI: CHEBI:72775 IUPAC Name: methyl benzoate SMILES: COC(=O)C1=CC=CC=C1

EDGE
PubChem CID 7150
CAS 93-58-3
Molecular Weight (g/mol) 136.15
ChEBI CHEBI:72775
SMILES COC(=O)C1=CC=CC=C1
Synonym methylbenzoate,benzoic acid, methyl ester,clorius,benzoic acid methyl ester,niobe oil,oil of niobe,methyl benzenecarboxylate,essence of niobe,oniobe oil,oxidate le
IUPAC Name methyl benzoate
InChI Key QPJVMBTYPHYUOC-UHFFFAOYSA-N
Molecular Formula C8H8O2